N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(methylamino)-3-nitro-benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(methylamino)-3-nitro-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(methylamino)-3-nitro-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4-(methylamino)-3-nitrobenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(methylamino)-3-nitrobenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(methylamino)-3-nitro-benzamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-])S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-])S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H26N4O5S/c1-15-7-9-17(14-20(15)31(29,30)24-11-5-3-4-6-12-24)23-21(26)16-8-10-18(22-2)19(13-16)25(27)28/h7-10,13-14,22H,3-6,11-12H2,1-2H3,(H,23,26)